0 B4R0.1 C(=N)(N)NN A2Z00038637 [0,0,0,0,0,0|4,0,0]=4 1 B4R0.1 C(C(=O)Cl)Cl A2Z00093506 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 CC(=O)CO A2Z00094832 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.1 CC(C)CBr A2Z00038648 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 CCC(=O)N A2Z00097941 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.1 COC(=O)Cl A2Z00093492 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 C[C@@H](CO)N A2Z00045067 [0,0,0,0,0,0|2,0,1]=3 7 B3R0.1 C#CCO A2Z00096413 [1,0,0,0,0,0|1,0,2]=4 8 B3R0.1 C(=N\O)/N A2Z00096515 [1,0,0,0,0,0|3,0,0]=4 9 B3R0.1 C(=O)NN A2Z00049575 [1,0,0,0,0,0|2,0,0]=3 10 B3R0.1 C(C#N)Cl A2Z00093485 [1,0,0,0,0,0|2,0,1]=4 11 B3R0.1 C(CS)N A2Z00095999 [1,0,0,0,0,0|1,1,1]=4 12 B3R0.1 C=CCBr A2Z00093514 [1,0,0,0,0,0|1,0,1]=3 13 B3R0.1 CCCBr A2Z00093521 [1,0,0,0,0,0|1,0,1]=3 14 B3R0.1 CCCN A2Z00093482 [1,0,0,0,0,0|1,0,1]=3 15 B3R0.2 CC(C)Br A2Z00093522 [1,0,0,0,0,0|1,0,1]=3 16 B3R0.2 CC(C)N A2Z00093481 [1,0,0,0,0,0|1,0,1]=3 17 B3R0.2 CN(C)N A2Z00049168 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 C(C#N)C(=O)N A2Z00096074 [0,1,0,0,0,0|1,0,1]=3 19 B5R0.1 C(C#N)C(=O)O A2Z00093469 [0,1,0,0,0,0|1,0,1]=3 20 B5R0.1 C(C#N)C(=S)N A2Z00033541 [0,1,0,0,0,0|1,1,1]=4 21 B5R0.1 C(CBr)C(=O)N A2Z00070352 [0,1,0,0,0,0|1,0,0]=2 22 B5R0.1 CC(=O)CCN A2Z00069826 [0,1,0,0,0,0|0,0,0]=1 23 B5R0.1 CC(C)CCBr A2Z00093551 [0,1,0,0,0,0|1,0,1]=3 24 B5R0.1 CC(C)C[N+]#[C-] A2Z00050390 [0,1,0,0,0,0|1,0,2]=4 25 B5R0.1 CC(CNN)O A2Z00062183 [0,1,0,0,0,0|1,0,2]=4 26 B5R0.1 CCCC(=O)O A2Z00093490 [0,1,0,0,0,0|1,0,0]=2 27 B5R0.1 CN(C)CCCl A2Z00093594 [0,1,0,0,0,0|2,0,0]=3 28 B5R0.1 CNCC(=O)O A2Z00095987 [0,1,0,0,0,0|1,0,0]=2 29 B5R0.1 COCC(=O)Cl A2Z00094312 [0,1,0,0,0,0|1,0,0]=2 30 B5R0.1 CSCC(=N)N A2Z00074300 [0,1,0,0,0,0|2,0,0]=3 31 B5R0.3 C(C(=O)C=O)O A2Z00050060 [0,1,0,0,0,0|1,0,1]=3 32 B5R0.3 CCN(CC)N A2Z00049169 [0,1,0,0,0,0|2,0,0]=3 33 B5R0.3 COC(=O)C#N A2Z00050483 [0,1,0,0,0,0|1,0,1]=3 34 B5R0.3 COC(=O)C=C A2Z00093487 [0,1,0,0,0,0|0,0,2]=3 35 B5R0.3 COC(=O)CI A2Z00098171 [0,1,0,0,0,0|1,0,0]=2 36 B5R0.4 CC(C)(CN)O A2Z00045066 [0,1,0,0,0,0|1,0,2]=4 37 B5R0.4 CCS(=O)(=O)C A2Z00068674 [0,1,0,0,0,0|1,0,0]=2 38 B5R0.4 CCS(=O)(=O)N A2Z00094833 [0,1,0,0,0,0|2,0,0]=3 39 B5R0.4 CNS(=O)(=O)Cl A2Z00048833 [0,1,0,0,0,0|3,0,0]=4 40 B5R0.4 CS(=O)(=O)NO A2Z00094627 [0,1,0,0,0,0|3,0,0]=4 41 B5R0.5 CC(=O)N(C)N A2Z00094878 [0,1,0,0,0,0|1,0,0]=2 42 B5R0.5 CC(C(=O)C)Cl A2Z00093500 [0,1,0,0,0,0|0,0,0]=1 43 B5R0.5 CC(C(=O)N)Cl A2Z00098040 [0,1,0,0,0,0|1,0,0]=2 44 B5R0.5 CN(C)C(=O)Cl A2Z00096010 [0,1,0,0,0,0|2,0,0]=3 45 B5R1.2 C1C(=O)CO1 A2Z00096164 [0,0,0,1,0,0|1,0,0]=2 46 B5R1.2 C1C(CN1)O A2Z00050204 [0,0,0,1,0,0|1,0,2]=4 47 B5R1.2 C1C(CO1)O A2Z00096297 [0,0,0,1,0,0|1,0,2]=4 48 B5R1.3 C1C(O1)CCl A2Z00093491 [0,0,0,1,0,0|1,0,2]=4 49 B2R0.1 C(Br)Br A2Z00093572 [2,0,0,0,0,0|2,0,0]=4 50 B2R0.1 CC=O A2Z00093597 [2,0,0,0,0,0|0,0,0]=2 51 B2R0.1 CON A2Z00047974 [2,0,0,0,0,0|2,0,0]=4 52 B4R0.2 C(CBr)CBr A2Z00093585 [1,1,0,0,0,0|1,0,1]=4 53 B4R0.2 C(CON)O A2Z00048270 [1,1,0,0,0,0|2,0,0]=4 54 B4R0.2 C(CS)C#N A2Z00070143 [1,1,0,0,0,0|1,0,1]=4 55 B4R0.2 CCCCBr A2Z00093542 [1,1,0,0,0,0|0,0,1]=3 56 B4R0.2 CCCCN A2Z00093484 [1,1,0,0,0,0|0,0,1]=3 57 B4R0.2 CNCCCl A2Z00094137 [1,1,0,0,0,0|1,0,0]=3 58 B4R0.2 COCON A2Z00070421 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.1 CCC(C)N=C=O A2Z00046535 [0,2,0,0,0,0|0,0,1]=3 60 B6R0.1 CCN(C)CCO A2Z00049387 [0,2,0,0,0,0|1,0,1]=4 61 B6R0.1 CCOC(=O)C#N A2Z00096059 [0,2,0,0,0,0|0,0,1]=3 62 B6R0.1 CCOC(=O)CBr A2Z00093566 [0,2,0,0,0,0|0,0,0]=2 63 B6R0.1 CCOC(=O)NN A2Z00096080 [0,2,0,0,0,0|1,0,0]=3 64 B6R0.1 CNC(=O)CON A2Z00070422 [0,2,0,0,0,0|1,0,0]=3 65 B6R0.1 COC(=O)CCS A2Z00096087 [0,2,0,0,0,0|0,0,0]=2 66 B6R0.1 COC(=O)C[N+]#[C-] A2Z00096250 [0,2,0,0,0,0|0,0,1]=3 67 B6R0.2 C(C(=O)N)[N+](=O)[O-] A2Z00096710 [0,2,0,0,0,0|2,0,0]=4 68 B6R0.2 C(C(=O)O)C(=O)O A2Z00038640 [0,2,0,0,0,0|1,0,1]=4 69 B6R0.2 CC(C)NC(C)C A2Z00095976 [0,2,0,0,0,0|1,0,1]=4 70 B6R0.3 C(C(=O)C(Cl)Cl)Cl A2Z00096114 [0,2,0,0,0,0|1,0,0]=3 71 B6R0.3 C(C(C(=O)N)N)O A2Z00085566 [0,2,0,0,0,0|1,0,0]=3 72 B6R0.3 C(C(C(=O)O)N)O A2Z00096658 [0,2,0,0,0,0|1,0,0]=3 73 B6R0.3 CC(C(=O)NC)N A2Z00049855 [0,2,0,0,0,0|0,0,0]=2 74 B6R0.3 CC(C)C(=O)CO A2Z00049695 [0,2,0,0,0,0|0,0,0]=2 75 B6R0.3 CC(CO)[N+](=O)[O-] A2Z00048273 [0,2,0,0,0,0|1,0,1]=4 76 B6R0.3 COC(=O)C(=N)N A2Z00096235 [0,2,0,0,0,0|1,0,1]=4 77 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [0,2,0,0,0,0|1,0,0]=3 78 B6R0.4 C=CCOC(=O)Cl A2Z00093512 [0,2,0,0,0,0|1,0,1]=4 79 B6R0.4 CC(=O)CCCCl A2Z00094593 [0,2,0,0,0,0|0,0,0]=2 80 B6R0.4 CC(=O)OCC#C A2Z00096305 [0,2,0,0,0,0|0,0,1]=3 81 B6R0.4 CC(=O)OCCBr A2Z00098196 [0,2,0,0,0,0|0,0,0]=2 82 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [0,2,0,0,0,0|0,0,1]=3 83 B6R0.4 CC(C)OCCN A2Z00047141 [0,2,0,0,0,0|1,0,1]=4 84 B6R0.4 CCCNC(C)C A2Z00048056 [0,2,0,0,0,0|1,0,1]=4 85 B6R0.4 CN(C)CCCCl A2Z00093595 [0,2,0,0,0,0|2,0,0]=4 86 B6R0.5 CC(C)(C)CCCl A2Z00094836 [0,2,0,0,0,0|1,0,1]=4 87 B6R0.5 CC(C)(C)CNC A2Z00049170 [0,2,0,0,0,0|1,0,1]=4 88 B6R0.5 CCNS(=O)(=O)Cl A2Z00048834 [0,2,0,0,0,0|2,0,0]=4 89 B6R0.5 CS(=O)(=O)CC#C A2Z00069958 [0,2,0,0,0,0|1,0,1]=4 90 B6R0.5 CS(=O)(=O)CC=C A2Z00069959 [0,2,0,0,0,0|1,0,1]=4 91 B6R0.5 CS(=O)(=O)CCN A2Z00048059 [0,2,0,0,0,0|1,0,0]=3 92 B6R0.8 COS(=O)(=O)OC A2Z00093525 [0,2,0,0,0,0|2,0,0]=4 93 B6R0.9 CCC(CC)CN A2Z00049557 [0,2,0,0,0,0|1,0,1]=4 94 B6R0.7 C(=O)(C(F)(F)F)N A2Z00096084 [0,2,0,0,0,0|2,0,0]=4 95 B6R0.7 C(=O)(C(F)(F)F)O A2Z00096362 [0,2,0,0,0,0|2,0,0]=4 96 B6R0.7 CC(C)(C(=O)N)Br A2Z00070347 [0,2,0,0,0,0|1,0,0]=3 97 B6R0.7 CC(C)C(C)(C)N A2Z00047867 [0,2,0,0,0,0|1,0,1]=4 98 B6R0.7 CC(C)S(=O)(=O)N A2Z00094821 [0,2,0,0,0,0|2,0,0]=4 99 B6R1.2 C1CC(=N)NC1 A2Z00096075 [0,1,0,1,0,0|1,0,0]=3 100 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [0,1,0,1,0,0|0,0,1]=3 101 B6R1.2 C1CC(=O)OC1 A2Z00038638 [0,1,0,1,0,0|0,0,0]=2 102 B6R1.2 C1CCC(C1)N A2Z00093486 [0,1,0,1,0,0|1,0,1]=4 103 B6R1.2 C1CCC(C1)O A2Z00093488 [0,1,0,1,0,0|0,0,2]=4 104 B6R1.2 C1CNCC1=O A2Z00050357 [0,1,0,1,0,0|0,0,0]=2 105 B6R1.2 C1COC(=O)N1 A2Z00096076 [0,1,0,1,0,0|1,0,0]=3 106 B6R1.2 C1CSC(=N1)N A2Z00096171 [0,1,0,1,0,0|1,1,0]=4 107 B6R1.11 C1CC1C(=O)Cl A2Z00095908 [0,1,0,1,0,0|1,0,0]=3